Analyte Name

18,19-Dehydrobuphrenorphine-d9

Molecular Formula

C29 D9 H30 N O4

Molecular Weight

474.68

Accurate Mass

474.344

SMILES

[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]4Oc5c(O)ccc6C[C@H]2N(CC7CC7)CC[C@@]34c56

InChI

InChI=1S/C29H39NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-11,17,20-21,24,31-32H,6-7,12-16H2,1-5H3/t20-,21-,24-,26?,27-,28+,29-/m1/s1/i1D3,2D3,3D3

IUPAC

(1R,2S,6R,14R,15R,19R)-5-(cyclopropylmethyl)-15-methoxy-19-[4,4,4-trideuterio-2-hydroxy-3,3-bis(trideuteriomethyl)butan-2-yl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol

Unlabelled CAS Number

155203-05-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat